6-(oxan-2-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine

C11H14F3N3O2 — CID 106773775

IUPAC6-(oxan-2-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNc1cc(OCC2CCCCO2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N3O2/c12-11(13,14)10-16-8(15)5-9(17-10)19-6-7-3-1-2-4-18-7/h5,7H,1-4,6H2,(H2,15,16,17)
InChIKeyPVHVKSBGMVNQAL-UHFFFAOYSA-N
MW277.25 g/mol
LogP2.03
Rot. Bonds3

About 6-(oxan-2-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine

6-(oxan-2-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106773775) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 6-(oxan-2-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(oxan-2-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106773775
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name6-(oxan-2-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNc1cc(OCC2CCCCO2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N3O2/c12-11(13,14)10-16-8(15)5-9(17-10)19-6-7-3-1-2-4-18-7/h5,7H,1-4,6H2,(H2,15,16,17)
InChIKeyPVHVKSBGMVNQAL-UHFFFAOYSA-N
XLogP2.03
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(oxolan-2-ylmethoxy)-2-propylpyrimidin-4-amine
CID 80950568
6-(oxan-2-ylmethoxy)pyridine-2,3-diamine
CID 79827597
N-methyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102719727
2-tert-butyl-6-(cyclohexylmethoxy)pyrimidin-4-amine
CID 80962786
2-(oxan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79869424
6-[(2-pyridin-2-ylcyclopropyl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine
CID 140649990
4-N-methyl-6-(oxolan-2-ylmethoxy)pyrimidine-2,4-diamine
CID 80859711
2-chloro-6-(oxolan-2-ylmethoxy)-4-(trichloromethyl)pyridine
CID 21330006
[3-chloro-6-(oxan-2-ylmethoxy)-2-pyridinyl]methanamine
CID 55058525
4-chloro-2-methylsulfanyl-6-(oxolan-2-ylmethoxy)pyrimidine
CID 80544680
5-fluoro-2-[[(2R)-oxan-2-yl]methoxy]aniline
CID 26189643
2-(oxolan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79869488

Frequently Asked Questions

What is the IUPAC name of 6-(oxan-2-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(oxan-2-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106773775) is 6-(oxan-2-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(oxan-2-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(oxan-2-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine is Nc1cc(OCC2CCCCO2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(oxan-2-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is PVHVKSBGMVNQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c12-11(13,14)10-16-8(15)5-9(17-10)19-6-7-3-1-2-4-18-7/h5,7H,1-4,6H2,(H2,15,16,17).
What are the key properties of 6-(oxan-2-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
6-(oxan-2-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 277.25 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxan-2-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106773775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).